Search results for "carbon"
showing 10 items of 6057 documents
Formation, phase composition, and transformations of Langmuir-Blodgett multi- and monolayers containing Fe
1992
Mono- and multilayers of ferric stearate were formed by the Langmuir-Blodgett technique. Thermodesorption of the hydrocarbon chains results in well defined thin oxidic films. Their reduction to Fe2+ and α-Fe was followed by conversion electron Mossbauer spectroscopy. Resonance lines can be observed even if the Fe coverage is less than one monolayer.
Reactivity of the carbon-carbon double bond towards nucleophilic additions. A dft analysis
2004
Abstract The global and local electrophilicity indexes have been used to characterize the reactivity pattern of the CC double bond towards nucleophilic addition reactions. A wide family of molecules including ketones, esters, anhydrides, nitriles and nitrocompounds containing appropriate substitution on the CC double bond have been classified within an unique scale of reactivity. The predictive capability of the theoretical model is tested against a series of benzylidenemalononitriles and substituted α-nitrostilbenes.
Chemistry and reactivity of mononuclear manganese oxamate complexes: Oxidative carbon-carbon bond cleavage of vic-diols by dioxygen and aldehydes cat…
2006
[EN] Two new mononuclear octahedral manganese(III) complexes with the tetradentate equatorial ligand o-phenylenebis(oxamate) (opba) and two aquo (1a) or two pyridine (1b) axial ligands have been synthesized and characterized structurally, magnetically, and electrochemically. The cyclovoltammogram of 1a in acetonitrile (25 degrees C, 0.1 M Bu4NPF6) shows an irreversible one-electron oxidation peak at a high anodic potential (E-ap = 1.03 V versus SCE), while that of 1b shows two well-separated one-electron oxidation peaks at moderate to high anodic potentials (E-ap = 0.92 and 1.27 V versus SCE), the first redox-wave being quasireversible in nature. The access to formally high-valent Mn-IV and…
Enhanced Sieving of C2‐Hydrocarbon from Methane by Fluoro‐Functionalization of In‐MOF with Robust Stability
2021
Developing efficient adsorbent materials is crucial for adsorption and separation to realize the purification of energy source and raw chemicals. Here, we report a novel and robust 3D In-based MOF built up with fluorine-functionalized ligands, QMOF-2F, with improved separation properties of C2-light hydrocarbons over methane at room temperature respect isoreticular non-fluorinated MOF. QMOF-2F shows a remarkable chemical stability in different solvents, including water, and pH (2-12). DFT calculations support the key role of fluorine-functionalization on the improved performance of QMOF-2F.
Vibronic structure in triatomic molecules : The hydrocarbon flame bands of the formyl radical (HCO). A theoretical study
1998
A theoretical study of the vibrational structure of the math 2A′ ground and math 2A′ excited states of the formyl radical, HCO, and its deuterated form, DCO, has been performed. The potential energy surfaces have been computed by means of a multiconfigurational perturbative method, CASPT2. The computed geometries and the harmonic and anharmonic frequencies are successfully compared to the available experimental information. The vibrational intensities of the transition math 2A′↔math 2A′ have been computed both for absorption and emission. The results lead to accurate determinations of several structural parameters and some reassignments of the vibrational transitions of the so-called hydroc…
Stabilisation of LDPE cross-linked in the presence of peroxides III. Mass spectrometric study of chemical changes taking place in the n-octadecane–di…
2000
Abstract An attempt was made to identify the products of the reaction between dicumyl peroxide and Irganox 1081, carried out in n -octadecane (saturated hydrocarbon), in conditions of fast decomposition of the peroxide (180°C, 5 min). Mass spectrometry (MS) was employed to find m/z values of molecular and fragment ions in analyses of the components ( n -octadecane, dicumyl peroxide, Irganox 1081) and of the following systems: n -octadecane–dicumyl peroxide, n -octadecane–Irganox 1081 and n -octadecane–dicumyl peroxide–Irganox 1081, after holding them at a temperature of 180°C for 5 min. The tendency of sulphur in Irganox 1081 to oxidise, specifically in the presence of dicumyl peroxide, was…
The synergy between the CsPbBr3 nanoparticle surface and the organic ligand becomes manifest in a demanding carbon–carbon coupling reaction
2020
We demonstrate here the suitability of CsPbBr3nanoparticles as photosensitizers for a demanding photoredox catalytic homo- and cross-coupling of alkyl bromides at room temperature by merely using visible light and an electron donor, thanks to the cooperative action between the nanoparticle surface and organic capping. Fil: Rosa-Pardo, Ignacio. Instituto de Ciencia Molecular; España. Universidad de Valencia; España Fil: Casadevall, Carla. Barcelona Institute Of Science And Technology. Institut Català D'investigació Química.; España Fil: Schmidt, Luciana Carina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigac…
Calculation of the Phase Behavior of Lipids
1998
The self-assembly of monoacyl lipids in solution is studied employing a model in which the lipid's hydrocarbon tail is described within the Rotational Isomeric State framework and is attached to a simple hydrophilic head. Mean-field theory is employed, and the necessary partition function of a single lipid is obtained via a partial enumeration over a large sample of molecular conformations. The influence of the lipid architecture on the transition between the lamellar and inverted-hexagonal phases is calculated, and qualitative agreement with experiment is found.
Electrical conductivity and permittivity of water-AOT-n-heptane microemulsions
1995
Measurements of the electrical conductivity and of the complex permittivity of water-sodium bis(2-ethylhexyl) sulfosuccinate (AOT)-n-heptane microemulsions are reported. The experimental results are rationalized in terms of a hopping mechanism of AOT anions within clusters of reversed micelles. The dependence of the hopping rate and of the cluster dimensions upon the ratio [water]/[AOT] and temperature is discussed.
Oxygen-containing polycyclic aromatic hydrocarbons (OPAHs) in urban soils of Bratislava, Slovakia: patterns, relation to PAHs and vertical distributi…
2011
Abstract We determined concentrations, sources, and vertical distribution of OPAHs and PAHs in soils of Bratislava. The ∑14 OPAHs concentrations in surface soil horizons ranged 88–2692 ng g−1 and those of ∑34 PAHs 842–244,870 ng g−1. The concentrations of the ∑9 carbonyl-OPAHs (r = 0.92, p = 0.0001) and the ∑5 hydroxyl-OPAHs (r = 0.73, p = 0.01) correlated significantly with ∑34 PAHs concentrations indicating the close association of OPAHs with parent-PAHs. OPAHs were quantitatively dominated by 9-fluorenone, 9,10-anthraquinone, 1-indanone and benzo[a]anthracene-7,12-dione. At several sites, individual carbonyl-OPAHs had higher concentrations than parent PAHs. The concentration ratios of se…